2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid

C15H21NO2 — CID 114989635

IUPAC2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(C)(NCC2CCC2)C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-11-5-3-8-13(9-11)15(2,14(17)18)16-10-12-6-4-7-12/h3,5,8-9,12,16H,4,6-7,10H2,1-2H3,(H,17,18)
InChIKeyJPYIJSGPDVFNTF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.68
Rot. Bonds5

About 2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid

2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid (PubChem CID 114989635) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
PubChem CID114989635
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
SMILESCc1cccc(C(C)(NCC2CCC2)C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-11-5-3-8-13(9-11)15(2,14(17)18)16-10-12-6-4-7-12/h3,5,8-9,12,16H,4,6-7,10H2,1-2H3,(H,17,18)
InChIKeyJPYIJSGPDVFNTF-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-[(2-methylcyclopropyl)amino]-2-(3-methylphenyl)propanoic acid
CID 115002847
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
3-amino-2-cyclopropyl-2-(3-methylphenyl)propanoic acid
CID 106490812
2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid
CID 61001335
4-cyclopentyl-2-(3-methylphenyl)butan-2-ol
CID 114191689
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
CID 61001487

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid (CID 114989635) is 2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid is Cc1cccc(C(C)(NCC2CCC2)C(=O)O)c1.
What is the InChIKey of 2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid?
The InChIKey is JPYIJSGPDVFNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-3-8-13(9-11)15(2,14(17)18)16-10-12-6-4-7-12/h3,5,8-9,12,16H,4,6-7,10H2,1-2H3,(H,17,18).
What are the key properties of 2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid?
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 114989635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).